SCHEMBL16637432

SCHEMBL16637432

CS(=O)(=O)OCc1cc(Br)c(C(F)(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.33
NOTUM Q6P988 1/20 0.33
DDR1 Q08345 3/20 0.31
NPSR1 Q6W5P4 1/20 0.30
AR P10275 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17930515 0.83 TSHR (0.36)
SCHEMBL2298007 0.82 KIF11 (0.33) KIF11NOTUMDDR1NPSR1
SCHEMBL24575577 0.80 TSHR (0.36)
SCHEMBL857212 0.80 SCN5A (0.32)
SCHEMBL19491472 0.76 KIF11 (0.35) KIF11DDR1NPSR1
SCHEMBL31137082 0.76 DPP4 (0.36)
SCHEMBL17622402 0.75 KMT2A (0.40) NOTUMDDR1NPSR1
SCHEMBL1230228 0.73 S1PR4 (0.32) NOTUMDDR1NPSR1
SCHEMBL20303666 0.73 IDO1 (0.58) DDR1NPSR1
SCHEMBL19409499 0.73 IDO1 (0.58)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3068768-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-09-21 EP disclosed
US-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. 2016-09-08 US disclosed
US-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. 2016-09-08 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2015073342-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015073342-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 KIF11 4383/4885NOTUM 1250/4885DDR1 3513/4885
US-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 KIF11 4326/4885NOTUM 1389/4885DDR1 4009/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.